methyl 3-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C15H18N2O3S2 MolecularWeight: 338.44502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=C(C2=C(S1)CCCC2)C#N

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=C(C2=C(S1)CCCC2)C#N

InChI

InChI=1S/C15H18N2O3S2/c1-20-14(19)6-7-21-9-13(18)17-15-11(8-16)10-4-2-3-5-12(10)22-15/h2-7,9H2,1H3,(H,17,18)